SCHEMBL17320652

SCHEMBL17320652

Cc1ccc(S(=O)(=O)Oc2ccccc2C2OCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.52
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ESR1 P03372 1/20 0.47
GAA P10253 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
VDR P11473 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10179980 0.79 HTR6 (0.63) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL9958221 0.78 HTR6 (0.62) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL8501386 0.77 HTR6 (0.51) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL8378573 0.76 CA12 (0.37) HTR6MEN1KMT2AALDH1A1KEAP1
SCHEMBL2474943 0.74 LMNA (0.56) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL29586241 0.74 LMNA (0.59) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL3824499 0.74 LMNA (0.59) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL11302211 0.73 ALDH1A1 (0.56) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL941645 0.72 LMNA (0.57) HTR6LMNAMAPK1MEN1KMT2A
SCHEMBL6938252 0.72 ALDH1A1 (0.61) LMNAMAPK1MEN1KMT2AESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
WO-2015191635-A2 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 WO disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 US disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 HTR6 1940/4885LMNA 1909/4885MAPK1 2354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.